%chk=000082530.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082530

0 1
 O    1.633900     -0.9310000      -1.011600    
 O    3.759100       1.222000      0.9269000    
 O    1.968100       2.255800     -0.8495000    
 O    3.824500      -2.713100      -1.046100    
 N  -0.4946000     -0.2925000     -0.1772000    
 N   -1.837300      -1.512600       1.121600    
 N   -2.131200       1.194600      -1.183600    
 N   -4.382500      0.7180000     -0.3709000    
 N   -4.834900      -1.012700       1.218800    
 C    2.627700      0.4361000      0.6194000    
 C    1.484400       1.231700      1.7999999E-02
 C   0.7379000      0.1826000     -0.8079000    
 C    2.917900     -0.5839000     -0.4680000    
 C    3.614100      -1.832300      4.3600000E-02
 C   -1.757800      0.1911000     -0.3754000    
 C  -0.5957000      -1.315300      0.7300000    
 C   -2.574200     -0.5779000      0.4385000    
 C    3.441100       2.238300       1.864400    
 C   -3.934000     -0.2841000      0.4231000    
 C   -3.466600       1.385100      -1.113900    
 H    2.277500     -8.4399998E-02   1.521300    
 H   0.8623000       1.716100      0.7779000    
 H   0.4598000      0.5558000      -1.800300    
 H    3.510500     -0.1448000      -1.281000    
 H    3.004500      -2.359400      0.7847000    
 H    4.584100      -1.593000      0.4889000    
 H    1.193100       2.701700      -1.232000    
 H   0.2616000      -1.878000       1.073400    
 H    2.930900       1.824300       2.740200    
 H    2.840800       3.033900       1.415600    
 H    4.379900       2.687600       2.201900    
 H    2.955300      -2.914200      -1.433200    
 H   -3.860800       2.180700      -1.737300    
 H   -4.502800      -1.761000       1.812000    
 H   -5.818300     -0.7802000       1.190100    


%chk=000082530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082530

0 1
O 1.829371 -1.143245 -0.686024
O 3.458655 1.566466 -0.534108
O 0.894421 2.164792 0.686160
O 3.348870 -3.140124 0.584616
N -0.457026 -0.518923 -0.541013
N -2.255457 -1.900235 -0.916596
N -1.641523 1.345628 0.629341
N -4.041564 0.916554 0.862221
N -5.074203 -1.046853 0.053280
C 2.909649 0.700554 0.503948
C 1.364956 0.809919 0.632260
C 0.920128 0.005937 -0.623752
C 3.115090 -0.748194 0.013171
C 3.355509 -1.780984 1.122834
C -1.569957 0.131278 -0.001802
C -0.931073 -1.728268 -1.084104
C -2.667825 -0.737278 -0.241688
C 3.677060 2.960316 -0.106028
C -3.943740 -0.300850 0.222259
C -2.912279 1.659313 1.027578
H 3.404521 0.894551 1.479641
H 1.051740 0.222153 1.527693
H 1.030185 0.633304 -1.530510
H 3.914434 -0.786010 -0.745156
H 2.593030 -1.666534 1.924368
H 4.359300 -1.640624 1.559314
H -0.132981 2.103370 0.756530
H -0.258460 -2.428715 -1.570574
H 4.377336 2.995858 0.755344
H 2.722452 3.439828 0.164466
H 4.137878 3.459984 -0.972606
H 2.519209 -3.239442 0.048689
H -3.036896 2.618058 1.538113
H -5.021281 -1.948433 -0.417122
H -5.961233 -0.688151 0.401656


